4-(4-azanylbutyl)-5-methyl-1,1-bis(oxidanylidene)-2-(phenylsulfonylmethyl)-1,2,5-thiadiazolidin-3-one

Systemtic Name: 4-(4-azanylbutyl)-5-methyl-1,1-bis(oxidanylidene)-2-(phenylsulfonylmethyl)-1,2,5-thiadiazolidin-3-one Openeye Name: 4-(4-aminobutyl)-2-(benzenesulfonylmethyl)-5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one CAS Name: 4-(4-aminobutyl)-2-(benzenesulfonylmethyl)-5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one IUPAC Name: 4-(4-aminobutyl)-2-(benzenesulfonylmethyl)-5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one Traditional Name: 4-(4-aminobutyl)-2-(besylmethyl)-1,1-diketo-5-methyl-1,2,5-thiadiazolidin-3-one Formula: C14H21N3O5S2 MolecularWeight: 375.46364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)N(S1(=O)=O)CS(=O)(=O)C2=CC=CC=C2)CCCCN

Isomeric SMILES

CN1C(C(=O)N(S1(=O)=O)CS(=O)(=O)C2=CC=CC=C2)CCCCN

InChI

InChI=1S/C14H21N3O5S2/c1-16-13(9-5-6-10-15)14(18)17(24(16,21)22)11-23(19,20)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,15H2,1H3